N-(4-morpholin-2-ylphenyl)-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide;hydrochloride

C19H23ClN4O3 — CID 166261549

IUPACN-(4-morpholin-2-ylphenyl)-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CNCCO2)cc1)c1cc2n(n1)CCCCC2=O
InChIInChI=1S/C19H22N4O3.ClH/c24-17-3-1-2-9-23-16(17)11-15(22-23)19(25)21-14-6-4-13(5-7-14)18-12-20-8-10-26-18;/h4-7,11,18,20H,1-3,8-10,12H2,(H,21,25);1H
InChIKeyWCRHWQYJPJVXFI-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.58
Rot. Bonds3

About N-(4-morpholin-2-ylphenyl)-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide;hydrochloride

N-(4-morpholin-2-ylphenyl)-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide;hydrochloride (PubChem CID 166261549) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-(4-morpholin-2-ylphenyl)-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-morpholin-2-ylphenyl)-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide;hydrochloride
PubChem CID166261549
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC NameN-(4-morpholin-2-ylphenyl)-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CNCCO2)cc1)c1cc2n(n1)CCCCC2=O
InChIInChI=1S/C19H22N4O3.ClH/c24-17-3-1-2-9-23-16(17)11-15(22-23)19(25)21-14-6-4-13(5-7-14)18-12-20-8-10-26-18;/h4-7,11,18,20H,1-3,8-10,12H2,(H,21,25);1H
InChIKeyWCRHWQYJPJVXFI-UHFFFAOYSA-N
XLogP2.58
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 175873849
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2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 129387150
4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 159688298
2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide
CID 90047217
1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 89262472
4-chloro-2-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 130184022
2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide
CID 71113263
2-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide
CID 71113057
N-(4-morpholin-2-ylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 67241056
3-(2-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087843
1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087810

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-2-ylphenyl)-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-morpholin-2-ylphenyl)-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide;hydrochloride (CID 166261549) is N-(4-morpholin-2-ylphenyl)-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-morpholin-2-ylphenyl)-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-morpholin-2-ylphenyl)-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(C2CNCCO2)cc1)c1cc2n(n1)CCCCC2=O.
What is the InChIKey of N-(4-morpholin-2-ylphenyl)-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide;hydrochloride?
The InChIKey is WCRHWQYJPJVXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3.ClH/c24-17-3-1-2-9-23-16(17)11-15(22-23)19(25)21-14-6-4-13(5-7-14)18-12-20-8-10-26-18;/h4-7,11,18,20H,1-3,8-10,12H2,(H,21,25);1H.
What are the key properties of N-(4-morpholin-2-ylphenyl)-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide;hydrochloride?
N-(4-morpholin-2-ylphenyl)-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide;hydrochloride has a molecular weight of 390.87 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-2-ylphenyl)-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide;hydrochloride is sourced from PubChem (CID 166261549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).